Structure Database (LMSD)

Common Name
SFE 22:4(7Z,13Z,16Z,19Z)/3:0(3Me)
Systematic Name
7Z,13Z,16Z,19Z-docosatetraenyl isobutyrate
Synonyms
LM ID
LMFA07100018
Formula
Exact Mass
Calculate m/z
402.349781
Sum Composition
Status
Curated

Classification

References

Taxonomy Information

Curated from
NCBI taxonomy class
Reference
Euproctis chrysorrhoea (#987934)
Insecta (#50557)
Identification of the Sex Attractant Pheromone of the Browntail Moth, Euproctis similis (FUESSLY) (Lepidoptera: Lymantriidae),
Appl Entomol Zool, 1994

String Representations

InChiKey (Click to copy)
YFNHMIOKCLHUPG-LYBCEPMBSA-N
InChi (Click to copy)
InChI=1S/C27H46O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-29-27(28)25-26(2)3/h5-6,8-9,11-12,17-18,26H,4,7,10,13-16,19-25H2,1-3H3/b6-5-,9-8-,12-11-,18-17-
SMILES (Click to copy)
C(CCCCC/C=C\CCCC/C=C\C/C=C\C/C=C\CC)OC(=O)CC(C)C

Other Databases

PubChem CID

Calculated Physicochemical Properties

Heavy Atoms 29
Rings
Aromatic Rings
Rotatable Bonds 20
Van der Waals Molecular Volume 480.04
Topological Polar Surface Area 26.30
Hydrogen Bond Donors
Hydrogen Bond Acceptors 2
logP 8.79
Molar Refractivity 128.54

Admin

Created at
20th Jan 2025
Updated at
20th Jan 2025